3-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)phenoxy]propanamide

C18H20N2O3 — CID 119934663

IUPAC3-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)phenoxy]propanamide
SMILESNC(=O)CCOc1ccccc1NCc1ccc2c(c1)CCO2
InChIInChI=1S/C18H20N2O3/c19-18(21)8-10-23-17-4-2-1-3-15(17)20-12-13-5-6-16-14(11-13)7-9-22-16/h1-6,11,20H,7-10,12H2,(H2,19,21)
InChIKeyZAMXENVRQAQNRP-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.49
Rot. Bonds7

About 3-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)phenoxy]propanamide

3-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)phenoxy]propanamide (PubChem CID 119934663) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)phenoxy]propanamide.

Molecular Properties

Compound Name3-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)phenoxy]propanamide
PubChem CID119934663
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)phenoxy]propanamide
SMILESNC(=O)CCOc1ccccc1NCc1ccc2c(c1)CCO2
InChIInChI=1S/C18H20N2O3/c19-18(21)8-10-23-17-4-2-1-3-15(17)20-12-13-5-6-16-14(11-13)7-9-22-16/h1-6,11,20H,7-10,12H2,(H2,19,21)
InChIKeyZAMXENVRQAQNRP-UHFFFAOYSA-N
XLogP2.49
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]phenoxy]propanamide
CID 119934680
3-[2-[(4-fluorophenyl)methylamino]phenoxy]propanamide
CID 43729736
2-(3,4-dihydro-2H-chromen-6-yl)-N-[2-[2-(dimethylamino)ethoxy]phenyl]acetamide;hydrochloride
CID 171667119
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-ethoxy-4-fluoroaniline
CID 43804400
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 110784239
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-propan-2-ylaniline
CID 43804020
1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-N-methylmethanamine
CID 65429354
1-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-fluorobenzene-1,2-diamine
CID 115127091
2,3-dichloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)aniline
CID 43804211
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxybenzamide
CID 110787049
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 55806591
2-(2-aminoethoxy)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-fluorobenzamide
CID 118784342

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)phenoxy]propanamide?
The IUPAC name of 3-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)phenoxy]propanamide (CID 119934663) is 3-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)phenoxy]propanamide.
What is the SMILES notation for 3-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)phenoxy]propanamide?
The canonical SMILES for 3-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)phenoxy]propanamide is NC(=O)CCOc1ccccc1NCc1ccc2c(c1)CCO2.
What is the InChIKey of 3-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)phenoxy]propanamide?
The InChIKey is ZAMXENVRQAQNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c19-18(21)8-10-23-17-4-2-1-3-15(17)20-12-13-5-6-16-14(11-13)7-9-22-16/h1-6,11,20H,7-10,12H2,(H2,19,21).
What are the key properties of 3-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)phenoxy]propanamide?
3-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)phenoxy]propanamide has a molecular weight of 312.37 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)phenoxy]propanamide is sourced from PubChem (CID 119934663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).